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CLFu's Projects

18337 icon 18337

18.337 - Parallel Computing and Scientific Machine Learning

2018fall_275 icon 2018fall_275

Mathematical Introduction to Electronic Structure Theory

aiida-vasp icon aiida-vasp

A plugin to AiiDA for running simulations with VASP

apollo-11 icon apollo-11

Original Apollo 11 Guidance Computer (AGC) source code for the command and lunar modules.

autograd icon autograd

Efficiently computes derivatives of numpy code.

calphy icon calphy

A Python library and command line interface for automated free energy calculations

cechmate icon cechmate

Custom filtration constructors for Python

cminpack icon cminpack

A C/C++ rewrite of the MINPACK software (originally in FORTRAN) for solving nonlinear equations and nonlinear least squares problems

correlation icon correlation

This program calculates the main correlation functions of a material: Radial Distribution Function (J(r)), Pair Distribution Function (g(r)) and Plane Angle Distribution (PAD).

cryspy icon cryspy

CrySPY is a crystal structure prediction tool written in Python.

cs-notes icon cs-notes

:books: Computer Science Learning Notes

cse-labs icon cse-labs

Lab programs and Assignments for MIT CSE dept.

deepmd-kit icon deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

dfttk icon dfttk

Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.

dpdispatcher icon dpdispatcher

generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish

emake icon emake

你见过的最简单的 GCC/CLANG 项目构建工具

espei icon espei

Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59

fealpy icon fealpy

Finite Element Analysis Library in Python

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